Geometry & MOs

Info

ID:	321460
PubChem CID:	126666084
Reduced:	FON3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	351.077454
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	5.03
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-chlorophenyl)methyl]-3-methyl-7-phenyl-[1,2]oxazolo[4,5-d]pyridazin-4-one

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)N)N3C=CN=CC3O

DOS

IR

Vibrations